5-(3-nitrophenoxy)thiophene-2-carboxylic acid

C11H7NO5S — CID 113404033

IUPAC5-(3-nitrophenoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C11H7NO5S/c13-11(14)9-4-5-10(18-9)17-8-3-1-2-7(6-8)12(15)16/h1-6H,(H,13,14)
InChIKeyOPDNANIRFIZBAN-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.15
Rot. Bonds4

About 5-(3-nitrophenoxy)thiophene-2-carboxylic acid

5-(3-nitrophenoxy)thiophene-2-carboxylic acid (PubChem CID 113404033) has the molecular formula C11H7NO5S and a molecular weight of 265.25 g/mol. Its IUPAC name is 5-(3-nitrophenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-nitrophenoxy)thiophene-2-carboxylic acid
PubChem CID113404033
Molecular FormulaC11H7NO5S
Molecular Weight265.25 g/mol
Exact Mass265.00
IUPAC Name5-(3-nitrophenoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C11H7NO5S/c13-11(14)9-4-5-10(18-9)17-8-3-1-2-7(6-8)12(15)16/h1-6H,(H,13,14)
InChIKeyOPDNANIRFIZBAN-UHFFFAOYSA-N
XLogP3.15
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(3-nitrophenoxy)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromo-5-nitrophenoxy)thiophene-2-carboxylic acid
CID 103588848
3-chloro-2-(3-nitrophenoxy)benzoic acid
CID 104629375
2-chloro-2-(3-nitrophenoxy)acetic acid
CID 87465859
1-methyl-4-(3-nitrophenoxy)pyridin-1-ium
CID 10247796
6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 63376850
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866
2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole
CID 64624692
1,3-dimethyl-5-(3-nitrophenoxy)pyrazole-4-carboxylic acid
CID 61031648
4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-nitrophenoxy)phenyl]propan-2-yl]benzoic acid
CID 14832329
4-[2-(3-nitrophenoxy)ethoxy]benzoic acid
CID 20991529

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-nitrophenoxy)thiophene-2-carboxylic acid (CID 113404033) is 5-(3-nitrophenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-nitrophenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-nitrophenoxy)thiophene-2-carboxylic acid is O=C(O)c1ccc(Oc2cccc([N+](=O)[O-])c2)s1.
What is the InChIKey of 5-(3-nitrophenoxy)thiophene-2-carboxylic acid?
The InChIKey is OPDNANIRFIZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5S/c13-11(14)9-4-5-10(18-9)17-8-3-1-2-7(6-8)12(15)16/h1-6H,(H,13,14).
What are the key properties of 5-(3-nitrophenoxy)thiophene-2-carboxylic acid?
5-(3-nitrophenoxy)thiophene-2-carboxylic acid has a molecular weight of 265.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 113404033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).